molecules
dict | messages
listlengths 3
3
|
|---|---|
{
"smiles": [
"CC1=CC(O)NC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC1=CC(O)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"C1=CCCCCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C1=CCCCCCC1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)C1=C(O)C(O)C(O)C(OC2C(CO)OC(O)C(NS(=O)(=O)O)C2O)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "O=C(O)C1=C(O)C(O)C(O)C(OC2C(CO)OC(O)C(NS(=O)(=O)O)C2O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C2CCC(C)C23CC2(C)CCC(C)(C)C2C3CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC1=C2CCC(C)C23CC2(C)CCC(C)(C)C2C3CC1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CCC(O)C(C)(C)C1CCC(C)=CCOc1c(OC)cc2ccc(=O)oc2c1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "C=C1CCC(O)C(C)(C)C1CCC(C)=CCOc1c(OC)cc2ccc(=O)oc2c1OC",
"role": "assistant"
}
] |
{
"smiles": [
"CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC=CCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCC=CCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CCC2C3CCC4CC(=O)C(F)CC4(C)C3CCC12C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(=O)OC1CCC2C3CCC4CC(=O)C(F)CC4(C)C3CCC12C",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(OP(=O)([O-])OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC1OC(OP(=O)([O-])OP(=O)([O-])OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)CC1OC(CO)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)CC1OC(CO)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC12CCC(O)CC1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC12CCC(O)CC1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc2O)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(O)CC2C(C)(C)CC(Cl)CC2(C)C1CC(O)C1CC(=O)NC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "C=C1C(O)CC2C(C)(C)CC(Cl)CC2(C)C1CC(O)C1CC(=O)NC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1C=C2N3CCCC4C(=O)CC(C1O)C24C(O)CC3"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1C=C2N3CCCC4C(=O)CC(C1O)C24C(O)CC3",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CC(=O)OC2CC3(C)C4CCC5C(C)(C)C(=O)CCC56CC46CCC3(C)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1CC(=O)OC2CC3(C)C4CCC5C(C)(C)C(=O)CCC56CC46CCC3(C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(NC1CCC(CCn2cc(-c3cccnc3)nn2)OC1CO)c1ccccc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "O=C(NC1CCC(CCn2cc(-c3cccnc3)nn2)OC1CO)c1ccccc1F",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c2c1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCC1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCCCCCC1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1CC(c2ccc(O)cc2)Oc2c(O)c3c(c(O)c21)OC=CO3"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "O=C1CC(c2ccc(O)cc2)Oc2c(O)c3c(c(O)c21)OC=CO3",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"S=[As]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "S=[As]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(COS(=O)(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(COS(=O)(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)c1ccc(C(O)c2ccccc2)cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "O=C(O)c1ccc(C(O)c2ccccc2)cn1",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(=O)C(C)C(OC(=O)C(C)C(O)C(C)C(=O)C(C)c1oc(C)c(C)c(=O)c1C)C(C)C(=O)CC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CCC(=O)C(C)C(OC(=O)C(C)C(O)C(C)C(=O)C(C)c1oc(C)c(C)c(=O)c1C)C(C)C(=O)CC",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OCC1C(OC(C)=O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(O)CC3(C(C)(C)O)C(O)C12O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(=O)OCC1C(OC(C)=O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C3=C(C)C(O)CC3(C(C)(C)O)C(O)C12O",
"role": "assistant"
}
] |
{
"smiles": [
"[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC1CC(C)=C2C(=O)C=C(C)C2(O)C2OC(=O)C(C)C12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=O)OC1CC(C)=C2C(=O)C=C(C)C2(O)C2OC(=O)C(C)C12",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2C1C(OC(=O)C(=CCO)CO)CC1(CO1)C1C(O)C=C(C)C21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "C=C1C(=O)OC2C1C(OC(=O)C(=CCO)CO)CC1(CO1)C1C(O)C=C(C)C21",
"role": "assistant"
}
] |
{
"smiles": [
"CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)CO",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)NC1C(OC2C(OC3C(O)C(O)OC(C(O)CO)C3OC3OC(CO)C(O)C(O)C3O)OC(C(CO)OP(=O)(O)OCCN)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)NC1C(OC2C(OC3C(O)C(O)OC(C(O)CO)C3OC3OC(CO)C(O)C(O)C3O)OC(C(CO)OP(=O)(O)OCCN)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)n1c(O)c(C=C2C=NN=C2c2ccccc2)sc1=S"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC(C)n1c(O)c(C=C2C=NN=C2c2ccccc2)sc1=S",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1C=C2CC3C(O)CC2(O1)C1CCCN31"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "O=C1C=C2CC3C(O)CC2(O1)C1CCCN31",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(OC(C)=O)c(OC(C)=O)cc3oc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(OC(C)=O)c(OC(C)=O)cc3oc2c1",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2(C)CCC1CC(OC(C)=O)C1(C)CCC(O1)C(C)(O)CCC2O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=C1C(=O)OC2(C)CCC1CC(OC(C)=O)C1(C)CCC(O1)C(C)(O)CCC2O",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CCC(OCC2(COC(=O)c3ccc[nH]3)C(OC(C)=O)CC(O)C3(C)C4CC=C(C)C(C5=C(O)C(=O)OC5O)C4(C)CCC23)OC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COC1CCC(OCC2(COC(=O)c3ccc[nH]3)C(OC(C)=O)CC(O)C3(C)C4CC=C(C)C(C5=C(O)C(=O)OC5O)C4(C)CCC23)OC1C",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1CCC2CCC3=C(C(=O)C(C(C)=CC(O)C1)C3O)C2(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "C=C1CCC2CCC3=C(C(=O)C(C(C)=CC(O)C1)C3O)C2(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCC(O)C(C)=CCC(O)C1(CO)OC1CCC(C)=CCO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(C)=CCC(O)C(C)=CCC(O)C1(CO)OC1CCC(C)=CCO",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1c(O)cc2c(c1O)C(=O)C1=CC(Cl)C(C)(C)OC1(CC1C(C)(O)CCC(Cl)C1(C)C)C2=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "Cc1c(O)cc2c(c1O)C(=O)C1=CC(Cl)C(C)(C)OC1(CC1C(C)(O)CCC(Cl)C1(C)C)C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1CCCC2C3CC(CN12)C1=CCCCN1C3"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "O=C1CCCC2C3CC(CN12)C1=CCCCN1C3",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(C(=O)C1CCC1)C(C)CO2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCC(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(C(=O)C1CCC1)C(C)CO2",
"role": "assistant"
}
] |
{
"smiles": [
"COC(=O)C12CCC34CCCN5CC(C(=O)C3)C1(c1ccccc1N2)C54"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COC(=O)C12CCC34CCCN5CC(C(=O)C3)C1(c1ccccc1N2)C54",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC=CCC=CCCCCCCC=C(C=O)CCCCCCCCCCCCCCC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CCCC=CCC=CCCCCCCC=C(C=O)CCCCCCCCCCCCCCC",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(OC)c2cc([N+](=O)[O-])c3c(C(=O)O)cc4c(c3c2c1)OCO4"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COc1cc(OC)c2cc([N+](=O)[O-])c3c(C(=O)O)cc4c(c3c2c1)OCO4",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1ccc(C2(CO)OC2O)c(O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "Cc1ccc(C2(CO)OC2O)c(O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CC23CCC(C)C4(CC(OC(=O)CC5CCCC(CC(O)CC(O)CC6OC7(C=CC6C)CCC(OC)C(O7)C(O)C(O)C(C)CCC(O2)C1Cl)O5)C(CC=CCC=CCC(O)C(=O)O)O4)O3"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "COC1CC23CCC(C)C4(CC(OC(=O)CC5CCCC(CC(O)CC(O)CC6OC7(C=CC6C)CCC(OC)C(O7)C(O)C(O)C(C)CCC(O2)C1Cl)O5)C(CC=CCC=CCC(O)C(=O)O)O4)O3",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CC(=O)NC1=C(CC2=C(NC(=O)C=C(C)C)N3C(C)C4OC4C3(C)C2=O)C(=O)C2(C)CC(O)C(C)N12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(C)=CC(=O)NC1=C(CC2=C(NC(=O)C=C(C)C)N3C(C)C4OC4C3(C)C2=O)C(=O)C2(C)CC(O)C(C)N12",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12",
"role": "assistant"
}
] |
{
"smiles": [
"CC(CCCC(C)C1CCC2C3C(O)CC4CC(O)C(O)CC4(C)C3CC(O)C12C)C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(CCCC(C)C1CCC2C3C(O)CC4CC(O)C(O)CC4(C)C3CC(O)C12C)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=C(CO)CC(C(C)(O)C2(O)CCC3(O)C4CC(O)C5=CC=CC(=O)C5(C)C4CCC32C)OC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "CC1=C(CO)CC(C(C)(O)C2(O)CCC3(O)C4CC(O)C5=CC=CC(=O)C5(C)C4CCC32C)OC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc2nc3occc3c(OC)c2c1C=CC(C)(C)OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1ccc2nc3occc3c(OC)c2c1C=CC(C)(C)OC",
"role": "assistant"
}
] |
{
"smiles": [
"N=C(N)C=CNC(=O)c1cc(NC(=O)C2CC(O)C(N)=N2)c[nH]1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N=C(N)C=CNC(=O)c1cc(NC(=O)C2CC(O)C(N)=N2)c[nH]1",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(=O)OC12CO"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(=O)OC12CO",
"role": "assistant"
}
] |
{
"smiles": [
"C=C1C(=O)OC2CC3(C)CCCC(=C)C3(O)CC12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "C=C1C(=O)OC2CC3(C)CCCC(=C)C3(O)CC12",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OCC(C)N(C)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OCC(C)N(C)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"COC1C(=O)Nc2ccc(C=CC3(C)OC(C)(C)C4CC43)c(O)c2C1(O)c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COC1C(=O)Nc2ccc(C=CC3(C)OC(C)(C)C4CC43)c(O)c2C1(O)c1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"Fc1ccc(N=CC=CC=CNc2ccc(F)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "Fc1ccc(N=CC=CC=CNc2ccc(F)cc2)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc2c(c1)OC1c3cc(Cc4oc5cc(OC)c(O)cc5c4-c4ccccc4)c(O)cc3OCC21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "COc1ccc2c(c1)OC1c3cc(Cc4oc5cc(OC)c(O)cc5c4-c4ccccc4)c(O)cc3OCC21",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)OC12CC(C)C(OC(=O)Cc3ccccc3)C1C=C(CO)CCC1C(C=C(C)C2=O)C1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC(=O)OC12CC(C)C(OC(=O)Cc3ccccc3)C1C=C(CO)CCC1C(C=C(C)C2=O)C1(C)C",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCC12CC(OC)C=CC1(OC)OC(c1ccc(OC)c(OC)c1)C2C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "C=CCC12CC(OC)C=CC1(OC)OC(c1ccc(OC)c(OC)c1)C2C",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=O)N(c1ccc2c(c1)Cc1ccccc1-2)c1nc2c(=O)[nH]c(N)nc2n1C1CC(O)C(CO)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "CC(=O)N(c1ccc2c(c1)Cc1ccccc1-2)c1nc2c(=O)[nH]c(N)nc2n1C1CC(O)C(CO)O1",
"role": "assistant"
}
] |
{
"smiles": [
"Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(O)CCC12C)OO3",
"role": "assistant"
}
] |
{
"smiles": [
"CCCC(=O)C1=C2C=C(C)Oc3c4c(c(=O)cc(c32)C1=O)C1(O)C(O4)OC(C)C(OC)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCCC(=O)C1=C2C=C(C)Oc3c4c(c(=O)cc(c32)C1=O)C1(O)C(O4)OC(C)C(OC)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C(NC(=O)C(CC(C)C)N(C)C)C(=O)N1CCC2Oc3ccc(cc3)C=CNC(=O)C(Cc3ccccc3)NC(=O)C21"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCC(C)C(NC(=O)C(CC(C)C)N(C)C)C(=O)N1CCC2Oc3ccc(cc3)C=CNC(=O)C(Cc3ccccc3)NC(=O)C21",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(C=CC(=O)OCC(Cc2ccc(O)c(OC)c2)C(CO)Cc2ccc(O)c(OC)c2)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1cc(C=CC(=O)OCC(Cc2ccc(O)c(OC)c2)C(CO)Cc2ccc(O)c(OC)c2)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(O)CC1OC(=O)c2c(O)cccc2C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC(O)CC1OC(=O)c2c(O)cccc2C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCC(C)C1NC(=O)C(Cc2ccc(O)c(Cl)c2)N(C)C(=O)C(C(C)CC)N2C(=O)C(CCC2OC)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(O)CO)C(C)OC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCC(C)C1NC(=O)C(Cc2ccc(O)c(Cl)c2)N(C)C(=O)C(C(C)CC)N2C(=O)C(CCC2OC)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(O)CO)C(C)OC1=O",
"role": "assistant"
}
] |
{
"smiles": [
"CCN(CC)C(=O)C=C(C)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CCN(CC)C(=O)C=C(C)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C1CN2C3CC1C1C2CC2(C3=Nc3ccc(OC)cc32)C1OC(C)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC=C1CN2C3CC1C1C2CC2(C3=Nc3ccc(OC)cc32)C1OC(C)=O",
"role": "assistant"
}
] |
{
"smiles": [
"CC1OC(Oc2ccc(-c3oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c(=O)c3OC3OC(CO)C(O)C(O)C3O)cc2)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CC1OC(Oc2ccc(-c3oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c(=O)c3OC3OC(CO)C(O)C(O)C3O)cc2)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(=CCOc1ccc(CCNC(=O)CC(C)C)cc1)C1=CC(=O)C(C)(C)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(=CCOc1ccc(CCNC(=O)CC(C)C)cc1)C1=CC(=O)C(C)(C)O1",
"role": "assistant"
}
] |
{
"smiles": [
"NC(CSCCB(O)O)C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "NC(CSCCB(O)O)C(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"CC=C(C)C(=O)OCC1C2=C(CC3C4C5=C(C(=O)C(C)=C(OC)C5=O)C(OC)C(C(C#N)N13)N4C)C(=O)C(C)=C(OC)C2=O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "CC=C(C)C(=O)OCC1C2=C(CC3C4C5=C(C(=O)C(C)=C(OC)C5=O)C(OC)C(C(C#N)N13)N4C)C(=O)C(C)=C(OC)C2=O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(CCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1cc(CCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)ccc1O",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccccc1",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC=CCC=CCCCCCCCCOCC(=O)COP(=O)([O-])[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CCCCCC=CCC=CCCCCCCCCOCC(=O)COP(=O)([O-])[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccnc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccnc1",
"role": "assistant"
}
] |
{
"smiles": [
"O=C([O-])CN1CCN(CC(=O)[O-])CCN(CC(=O)NCC2CCC(C(=O)NC(Cc3ccc4ccccc4c3)C(=O)NCCCCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)CC2)CCN(CC(=O)[O-])CC1.[Ga+3]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "O=C([O-])CN1CCN(CC(=O)[O-])CCN(CC(=O)NCC2CCC(C(=O)NC(Cc3ccc4ccccc4c3)C(=O)NCCCCC(NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)CC2)CCN(CC(=O)[O-])CC1.[Ga+3]",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc2c3c([nH]c2c1)C(CO)N(C(C)=O)CC31CN(Cc2ccccc2Cl)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Tell me the SMILES of this molecule: <molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc2c3c([nH]c2c1)C(CO)N(C(C)=O)CC31CN(Cc2ccccc2Cl)C1",
"role": "assistant"
}
] |
{
"smiles": [
"C=CCc1ccc(OC(=O)c2ccccc2OC2OC(C(=O)O)C(O)C(O)C2O)c(OC)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "C=CCc1ccc(OC(=O)c2ccccc2OC2OC(C(=O)O)C(O)C(O)C2O)c(OC)c1",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CC2COC(=O)C2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1ccc(CC2COC(=O)C2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CC(=NO)C(=O)NCCc2ccc(O)c(Br)c2)cc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COc1ccc(CC(=NO)C(=O)NCCc2ccc(O)c(Br)c2)cc1Br",
"role": "assistant"
}
] |
{
"smiles": [
"COc1ccc(CN2CC3(CCN(C(=O)Cc4ccncc4)CC3)c3c([nH]c4cc(OC)ccc34)C2CO)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "COc1ccc(CN2CC3(CCN(C(=O)Cc4ccncc4)CC3)c3c([nH]c4cc(OC)ccc34)C2CO)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"C#CC=CC1C(O)CCCC12CCCC(CCC=C=C)N2"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "C#CC=CC1C(O)CCCC12CCCC(CCC=C=C)N2",
"role": "assistant"
}
] |
{
"smiles": [
"COC1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OCC(C)N(C(=O)c2cnccn2)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> What is the SMILES of this molecule?",
"role": "user"
},
{
"content": "COC1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OCC(C)N(C(=O)c2cnccn2)CC1C",
"role": "assistant"
}
] |
{
"smiles": [
"C=CC(CCCCC)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "C=CC(CCCCC)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(O)c2c(=O)c3c(C)cc(OS(=O)(=O)O)cc3oc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you provide the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "COc1cc(O)c2c(=O)c3c(C)cc(OS(=O)(=O)O)cc3oc2c1",
"role": "assistant"
}
] |
{
"smiles": [
"CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Please give me the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"NC1=NCC2c3ccccc3Cc3ccccc3N12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "NC1=NCC2c3ccccc3Cc3ccccc3N12",
"role": "assistant"
}
] |
{
"smiles": [
"COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)cc(-c3ccc(O)c(OC)c3OC)oc2c1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Provide the SMILES of this molecule <molecule_2d> .",
"role": "user"
},
{
"content": "COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)cc(-c3ccc(O)c(OC)c3OC)oc2c1OC",
"role": "assistant"
}
] |
{
"smiles": [
"CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCCCCC(=O)OOC(=O)CCCCCCCC"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. What is the corresponding SMILES representation?",
"role": "user"
},
{
"content": "CCCCCCCCC(=O)OOC(=O)CCCCCCCC",
"role": "assistant"
}
] |
{
"smiles": [
"O=C(O)C1OC(Oc2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)C(O)C(O)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "O=C(O)C1OC(Oc2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)C(O)C(O)C1O",
"role": "assistant"
}
] |
{
"smiles": [
"CC(C)(N)Cc1ccc(Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Could you give me the SMILES of this molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "CC(C)(N)Cc1ccc(Cl)cc1",
"role": "assistant"
}
] |
{
"smiles": [
"COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a compound. Could you please tell me the SMILES of it?",
"role": "user"
},
{
"content": "COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1",
"role": "assistant"
}
] |
{
"smiles": [
"[NH3+]C(CNC(=O)CC(O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "Given the molecule <molecule_2d>, write its SMILES notation.",
"role": "user"
},
{
"content": "[NH3+]C(CNC(=O)CC(O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-]",
"role": "assistant"
}
] |
{
"smiles": [
"CCCCCC1OC1C=CC(O)CC=CCC=CCCCC(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "CCCCCC1OC1C=CC(O)CC=CCC=CCCCC(=O)O",
"role": "assistant"
}
] |
{
"smiles": [
"O=C1NC(Cc2ccccc2)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)N2CCCC12"
]
} | [
{
"content": "You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.",
"role": "system"
},
{
"content": "I'd like the SMILES of this molecule <molecule_2d>. Can you do that?",
"role": "user"
},
{
"content": "O=C1NC(Cc2ccccc2)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)N2CCCC12",
"role": "assistant"
}
] |